* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    148    224     431
    1     0 S   NP   _N1_     1    28.28907    96.52601   -22.16368
    2     1 S   H    _HN1     2     1.02950    72.56109    10.83438
    3     1 S   H    _H1_     3     1.02829    42.34154   153.98439
    4     1 S   H    _H2_     4     1.02774    96.49152   -96.46332
    5     1 S   CT   _CA1     5     1.50107   147.29554   111.57921
    6     5 S   HC   _HA1     6     1.09519   105.18498    88.27834
    7     5 S   CO3  _C1_     7     1.53860   112.49712   -32.09124
    8     7 S   O2Z  _O11     8     1.26387   114.96203   -38.94528
    9     7 S   O2Z  _O12     9     1.26210   115.06519   140.33144
   10     5 S   CT   _CB1    10     1.53125   107.47200  -153.51114
   11    10 S   HC   HB11    11     1.09817   109.63308   -47.50878
   12    10 S   HC   HB12    12     1.09807   110.40024    69.26387
   13    10 S   CT   _CG1    13     1.52877   112.37749  -168.40099
   14    13 S   HC   HG11    14     1.09565   110.64943   -60.94857
   15    13 S   HC   HG12    15     1.09453   109.59369    58.29296
   16    13 S   C    _CD1    16     1.51659   112.69543   178.20441
   17    16 S   O    _OE1    17     1.22722   123.38289    -3.86979
   18    16 S   N    _N2_    18     1.38551   111.48188   176.19960
   19    18 S   H    _HN2    19     1.01707   118.94590     3.15331
   20    18 S   CT1  _CA2    20     1.45896   122.95699  -179.89165
   21    20 S   HC   _HA2    21     1.09733   108.60231    24.67741
   22    20 S   C    _C2_    22     1.53079   110.23878   -91.89771
   23    22 S   O    _O2_    23     1.23207   120.72633   156.97190
   24    20 S   CT   _CB2    32     1.53286   111.52100   147.05101
   25    24 S   HC   HB21    33     1.09355   109.57026    57.04592
   26    24 S   HC   HB22    34     1.09498   109.93091   175.47736
   27    22 S   N    _N3_    24     1.38263   115.03133   -30.33121
   28    27 S   H    _HN3    25     1.01661   119.91985     4.96073
   29    24 S   S    _SG2    35     1.83223   110.87523   -64.85553
   30    27 S   CT   _CA3    26     1.45349   122.47382  -175.98839
   31    30 S   HC   HA31    27     1.09563   108.15393   -50.01954
   32    30 S   HC   HA32    28     1.09577   107.19047    66.18065
   33    29 S   CT   _C21    36     1.86427   101.29159   162.22072
   34    30 S   CO3  _C3_    29     1.52804   114.58307  -171.85876
   35    34 S   O2Z  _O31    30     1.26287   116.13296    15.39442
   36    34 S   O2Z  _O32    31     1.26445   114.46357  -164.93309
   37    33 S   CM   _C20    37     1.52412   107.33745   -66.81532
   38    37 S   HC   _H15    38     1.09386   112.80024   -55.72261
   39    33 S   CT   _C22    77     1.53602   108.74080    62.10916
   40    39 S   HC   _H16    78     1.09718   111.39576    55.31003
   41    39 S   HC   _H17    79     1.09656   110.99977   173.70138
   42    39 S   HC   _H18    80     1.09466   112.86804   -65.45525
   43    33 S   CT   _C23    81     1.54063   106.23317   178.14977
   44    43 S   HC   _H19    82     1.09691   111.80794   -61.38644
   45    43 S   HC   _H20    83     1.09732   112.32521    59.83827
   46    43 S   HC   _H21    84     1.09723   110.66776   179.34658
   47    37 S   CMA  _C19    39     1.35613   131.48672   123.22983
   48    47 S   OM   _O38    40     1.26442   127.64243     3.34574
   49    47 S   OS   _O37    41     1.41882   110.81273  -178.50054
   50    49 S   CT   _C8_    42     1.44745   111.99913    95.08474
   51    50 S   HC   _H3_    43     1.09856   109.83946   -14.74495
   52    50 S   CM   _C9_    44     1.52146   108.84316  -134.38498
   53    50 S   CT   _C7_    63     1.54333   108.24304   104.96535
   54    53 S   HC   _H8_    64     1.09564   110.19388    61.46980
   55    53 S   HC   _H9_    65     1.09736   109.38033   -52.17751
   56    52 S   CM   _C10    45     1.33872   123.68153   -31.01159
   57    56 S   HC   _H10    46     1.08550   121.35130     0.82992
   58    53 S   CM   _C6_    66     1.50454   113.18262  -171.79039
   59    58 S   HC   _H7_    67     1.08999   113.98988    73.13202
   60    56 S   CO4  _C11    47     1.47394   122.83598  -177.73082
   61    60 S   O    _O33    48     1.22526   120.15546  -172.69440
   62    58 S   CM   _C5_    68     1.34673   127.93441  -106.63621
   63    60 S   CA   _C12    49     1.47738   117.90082     9.53471
   64    62 S   CT   _C4_    69     1.50561   120.33818  -179.95154
   65    64 S   HC   _H4_    70     1.09495   110.25003   123.35460
   66    64 S   HC   _H5_    71     1.09455   112.39562     3.49407
   67    64 S   HC   _H6_    72     1.09498   110.22371  -116.78023
   68    62 S   CT   _C24    73     1.50231   125.31604     1.13780
   69    68 S   HC   _H22    74     1.09539   110.00603   122.57885
   70    68 S   HC   _H23    75     1.09173   113.64429     2.59412
   71    68 S   HC   _H24    76     1.09492   110.07150  -118.14131
   72    63 S   CA   _C17    50     1.40145   119.50946    -9.80692
   73    72 S   CA   _C16    51     1.40427   119.25810   178.14713
   74    52 S   CO4  _C18    61     1.48877   117.28317   147.81007
   75    74 S   O    _O34    62     1.22561   121.09243   -14.88326
   76    73 S   CA   _C15    52     1.39530   120.67584     0.85272
   77    76 S   HA   _H12    53     1.08680   120.33989   179.93744
   78    73 S   OH   _O35    59     1.36829   123.92325  -178.51049
   79    78 S   HO   _H13    60     0.97606   110.28970     4.80294
   80    76 S   CA   _C14    54     1.39061   120.00826    -0.21670
   81    80 S   HA   _H11    55     1.08659   119.75291   179.93744
   82    63 S   CA   _C13    56     1.40471   120.89818   169.33286
   83    82 S   OH   _O36    57     1.36924   123.49498     0.97879
   84    83 S   HO   _H14    58     0.97378   108.89140     4.22183
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  13   2   1   1  13   5   8   3   2   1   4   2   1   1   6   2
   9  14   7  13   9   4   3   8   4  10   3   8   3   8  11   7
   3   2   1   3   2   1   1  10   9   4   1   7   4   2   1   4
   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    49    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    49    50    39    40    41    42    43    44    45    46  
   47    48    49    39    43  
   40    41    42    43    44    45    46    47  
   41    42    43  
   42    43  
   43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    53  
   49    50  
   50    51    52    56    74    53    54    55    58  
   51    52    56    57    60    72    74    75    53    54    55    58    59    62  
   52    56    74    53    54    55    58  
   56    57    60    61    63    72    73    74    75    53    54    55    58  
   54    55    58    59    62    64    68    56    74  
   55    58    59    62  
   58    59    62  
   57    60    61    63    72    82    74    75  
   60    61    63    74  
   59    62    64    65    66    67    68    69    70    71  
   62    64    68  
   61    63    72    73    80    82    83    74  
   63    72    82  
   64    65    66    67    68    69    70    71  
   72    73    76    80    81    82    83    84    78    74    75  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
   73    76    77    80    82    83    78    79    74    75  
   76    77    80    81    82    78    79    74    75  
   75    76    78    82  
    0  
   77    80    81    82    83    78    79  
   80    81    82    78  
   79    80  
    0  
   81    82    83    84  
   82    83  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    47   465.000  1.376
   47    48   745.000  1.250
   47    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    53   268.000  1.529
   52    56   549.000  1.340
   52    74   320.000  1.462
   56    57   340.000  1.080
   56    60   320.000  1.462
   60    61   570.000  1.229
   60    63   310.000  1.470
   63    72   469.000  1.400
   63    82   469.000  1.400
   72    73   469.000  1.400
   72    74   310.000  1.470
   73    76   469.000  1.400
   73    78   450.000  1.364
   76    77   367.000  1.080
   76    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   450.000  1.364
   83    84   553.000  0.945
   78    79   553.000  0.945
   74    75   570.000  1.229
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   317.000  1.510
   58    59   340.000  1.080
   58    62   549.000  1.340
   62    64   317.000  1.510
   62    68   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    47    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    65.00000  137.10300
   37    47    49    80.00000  120.01400
   47    37    38    40.00000  120.50800
   47    49    50    90.00000  111.18400
   49    47    48    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    85.00000  110.90400
   49    50    53    50.00000  109.50000
   50    52    56    70.00000  124.00000
   50    52    74    65.00000  116.34900
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    58    70.00000  112.02700
   52    50    51    35.00000  109.50000
   52    56    57    35.00000  120.00000
   52    56    60    65.00000  118.96000
   52    74    72    65.00000  117.02400
   52    74    75    80.00000  123.72100
   56    60    61    80.00000  123.72100
   56    60    63    65.00000  117.02400
   60    56    57    40.00000  117.72500
   60    63    72    60.00000  119.52600
   60    63    82    60.00000  119.52600
   63    60    61    75.00000  123.78400
   63    72    73    63.00000  120.00000
   63    72    74    60.00000  119.52600
   63    82    80    63.00000  120.00000
   63    82    83    70.00000  120.00000
   72    73    76    63.00000  120.00000
   72    73    78    70.00000  120.00000
   72    74    75    75.00000  123.78400
   73    76    77    35.00000  120.00000
   73    76    80    63.00000  120.00000
   73    78    79    35.00000  113.00000
   76    80    81    35.00000  120.00000
   76    80    82    63.00000  120.00000
   80    76    77    35.00000  120.00000
   80    82    83    70.00000  120.00000
   82    63    72    63.00000  120.00000
   82    80    81    35.00000  120.00000
   82    83    84    35.00000  113.00000
   78    73    76    70.00000  120.00000
   74    52    56    65.00000  118.96000
   74    72    73    60.00000  119.52600
   53    50    51    37.50000  110.70000
   53    50    52    70.00000  112.02700
   53    58    59    35.00000  117.00000
   53    58    62    70.00000  124.00000
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    62    64    70.00000  124.00000
   58    62    68    70.00000  124.00000
   62    58    59    35.00000  120.00000
   62    64    65    35.00000  109.50000
   62    64    66    35.00000  109.50000
   62    64    67    35.00000  109.50000
   62    68    69    35.00000  109.50000
   62    68    70    35.00000  109.50000
   62    68    71    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    62    64    65.00000  117.92700
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    47   0.42700  1.0 1.0
   29    33    37    47  -0.70350 -1.0 2.0
   29    33    37    47  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   7.00000 -1.0 2.0
   33    37    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50  -2.26850  1.0 1.0
   37    47    49    50   3.39050 -1.0 2.0
   38    37    47    48   7.00000 -1.0 2.0
   38    37    47    49   7.00000 -1.0 2.0
   47    49    50    51   0.08050  1.0 3.0
   47    49    50    52  -0.48150  1.0 1.0
   47    49    50    52   0.09250 -1.0 2.0
   47    49    50    52  -0.12850  1.0 3.0
   47    49    50    53  -0.46850  1.0 1.0
   47    49    50    53   0.09300 -1.0 2.0
   47    49    50    53  -0.12850  1.0 3.0
   48    47    49    50   2.00000 -1.0 2.0
   49    50    52    56   0.39000  1.0 1.0
   49    50    52    56  -0.05800 -1.0 2.0
   49    50    52    56  -0.55150  1.0 3.0
   49    50    52    74   0.09700  1.0 1.0
   49    50    52    74   0.15600 -1.0 2.0
   49    50    52    74  -0.50800  1.0 3.0
   49    50    53    54   0.23400  1.0 3.0
   49    50    53    55   0.23400  1.0 3.0
   49    50    53    58   0.61850  1.0 1.0
   49    50    53    58  -0.22750 -1.0 2.0
   49    50    53    58   0.15300  1.0 3.0
   50    52    56    57   7.00000 -1.0 2.0
   50    52    56    60   7.00000 -1.0 2.0
   50    52    74    72   1.50000 -1.0 2.0
   50    52    74    75  -0.64400  1.0 1.0
   50    52    74    75   0.26850 -1.0 2.0
   50    53    58    59   0.00000  1.0 1.0
   50    53    58    62   0.09850  1.0 1.0
   50    53    58    62   0.15250 -1.0 2.0
   50    53    58    62  -0.50650  1.0 3.0
   51    50    52    56   0.00000  1.0 1.0
   51    50    52    74   0.15000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    58   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    58   0.31000  1.0 1.0
   52    50    53    58   0.14700 -1.0 2.0
   52    50    53    58   0.07550  1.0 3.0
   52    56    60    61   1.00000 -1.0 2.0
   52    56    60    63  -1.65800  1.0 1.0
   52    56    60    63   0.77650 -1.0 2.0
   56    52    74    72  -1.65800  1.0 1.0
   56    52    74    72   0.77650 -1.0 2.0
   56    52    74    75   1.00000 -1.0 2.0
   56    60   -63    72  -0.11500  1.0 1.0
   56    60   -63    72   1.10450 -1.0 2.0
   56    60   -63    72  -0.48050  1.0 3.0
   56    60    63    82  -0.11500  1.0 1.0
   56    60    63    82   1.10450 -1.0 2.0
   56    60    63    82  -0.48050  1.0 3.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    63   1.64500 -1.0 2.0
   60    63    72    73   3.62500 -1.0 2.0
   60    63    72    74   3.62500 -1.0 2.0
   60    63    82    80   3.62500 -1.0 2.0
   60    63    82    83   3.62500 -1.0 2.0
   61    60    63    72   1.05000 -1.0 2.0
   61    60    63    82   1.05000 -1.0 2.0
   63    72    73    76   3.62500 -1.0 2.0
   63    72    73    78   3.62500 -1.0 2.0
   63    72   -74    52  -0.11500  1.0 1.0
   63    72   -74    52   1.10450 -1.0 2.0
   63    72   -74    52  -0.48050  1.0 3.0
   63    72    74    75   1.05000 -1.0 2.0
   63    82    83    84   0.84100 -1.0 2.0
   72    63    82    80   3.62500 -1.0 2.0
   72    63    82    83   3.62500 -1.0 2.0
   72    73    76    77   3.62500 -1.0 2.0
   72    73   -76    80   3.62500 -1.0 2.0
   72    73    78    79   0.84100 -1.0 2.0
   73    72    74    52  -0.11500  1.0 1.0
   73    72    74    52   1.10450 -1.0 2.0
   73    72    74    52  -0.48050  1.0 3.0
   73    72    74    75   1.05000 -1.0 2.0
   73    76    80    81   3.62500 -1.0 2.0
   73    76    80    82   3.62500 -1.0 2.0
   76    73    78    79   0.84100 -1.0 2.0
   76    80   -82    63   3.62500 -1.0 2.0
   76    80    82    83   3.62500 -1.0 2.0
   77    76    80    81   3.62500 -1.0 2.0
   77    76    80    82   3.62500 -1.0 2.0
   80    82    83    84   0.84100 -1.0 2.0
   81    80    82    63   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   82    63   -72    73   3.62500 -1.0 2.0
   82    63    72    74   3.62500 -1.0 2.0
   78    73    76    77   3.62500 -1.0 2.0
   78    73    76    80   3.62500 -1.0 2.0
   74    52    56    57   7.00000 -1.0 2.0
   74    52   -56    60   7.00000 -1.0 2.0
   74    72    73    76   3.62500 -1.0 2.0
   74    72    73    78   3.62500 -1.0 2.0
   53    50    52    56   0.09850  1.0 1.0
   53    50    52    56   0.15250 -1.0 2.0
   53    50    52    56  -0.50650  1.0 3.0
   53    50    52    74   0.09700  1.0 1.0
   53    50    52    74   0.15600 -1.0 2.0
   53    50    52    74  -0.50800  1.0 3.0
   53    58    62    64   7.00000 -1.0 2.0
   53    58    62    68   7.00000 -1.0 2.0
   54    53    58    59   0.33100  1.0 3.0
   54    53    58    62   0.00000  1.0 1.0
   55    53    58    59   0.33100  1.0 3.0
   55    53    58    62   0.00000  1.0 1.0
   58    62    64    65   0.00000  1.0 1.0
   58    62    64    66   0.00000  1.0 1.0
   58    62    64    67   0.00000  1.0 1.0
   58    62    68    69   0.00000  1.0 1.0
   58    62    68    70   0.00000  1.0 1.0
   58    62    68    71   0.00000  1.0 1.0
   59    58    62    64   7.00000 -1.0 2.0
   59    58    62    68   7.00000 -1.0 2.0
   64    62    68    69   0.34800  1.0 3.0
   64    62    68    70   0.34800  1.0 3.0
   64    62    68    71   0.34800  1.0 3.0
   68    62    64    65   0.34800  1.0 3.0
   68    62    64    66   0.34800  1.0 3.0
   68    62    64    67   0.34800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    47   0.09850  1.0 1.0
   39    33    37    47   0.15250 -1.0 2.0
   39    33    37    47  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    47   0.09850  1.0 1.0
   43    33    37    47   0.15250 -1.0 2.0
   43    33    37    47  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    47  15.00000 -1.0 2.0
   48    49    47    37  15.00000 -1.0 2.0
   50    74    52    56   1.10000 -1.0 2.0
   60    57    56    52   1.10000 -1.0 2.0
   56    63    60    61  10.50000 -1.0 2.0
   72    82    63    60   4.00000 -1.0 2.0
   73    74    72    63   4.00000 -1.0 2.0
   76    78    73    72   4.00000 -1.0 2.0
   80    77    76    73   1.10000 -1.0 2.0
   82    81    80    76   1.10000 -1.0 2.0
   80    83    82    63   4.00000 -1.0 2.0
   52    72    74    75  10.50000 -1.0 2.0
   53    59    58    62  15.00000 -1.0 2.0
   64    68    62    58  15.00000 -1.0 2.0
END
